2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide

C24H20FNO4 — CID 55841999

IUPAC2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20FNO4/c25-19-12-17(23-18(13-19)14-29-15-30-23)10-11-26-24(28)21-9-5-4-8-20(21)22(27)16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,26,28)
InChIKeyVEGSEWUMOTXHRH-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.90
Rot. Bonds6

About 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide

2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide (PubChem CID 55841999) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
PubChem CID55841999
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C24H20FNO4/c25-19-12-17(23-18(13-19)14-29-15-30-23)10-11-26-24(28)21-9-5-4-8-20(21)22(27)16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,26,28)
InChIKeyVEGSEWUMOTXHRH-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55931021
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55842645
N-[4-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 55842902
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51120020
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 86865764
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55666093
3-[2-[[N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633251
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55665778
2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
CID 51128406
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55841367
3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide
CID 55663401

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?
The IUPAC name of 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide (CID 55841999) is 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide is O=C(NCCc1cc(F)cc2c1OCOC2)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?
The InChIKey is VEGSEWUMOTXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4/c25-19-12-17(23-18(13-19)14-29-15-30-23)10-11-26-24(28)21-9-5-4-8-20(21)22(27)16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,26,28).
What are the key properties of 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide?
2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide is sourced from PubChem (CID 55841999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).